sodium;hydride;phenoxy-phenyl-sulfanylidenephosphanium

C12H11NaOPS+ — CID 174295420

IUPACsodium;hydride;phenoxy-phenyl-sulfanylidenephosphanium
SMILESS=[P+](Oc1ccccc1)c1ccccc1.[H-].[Na+]
InChIInChI=1S/C12H10OPS.Na.H/c15-14(12-9-5-2-6-10-12)13-11-7-3-1-4-8-11;;/h1-10H;;/q2*+1;-1
InChIKeyXMLUCLKVIGFTGW-UHFFFAOYSA-N
MW257.25 g/mol
LogP0.37
Rot. Bonds3

About sodium;hydride;phenoxy-phenyl-sulfanylidenephosphanium

sodium;hydride;phenoxy-phenyl-sulfanylidenephosphanium (PubChem CID 174295420) has the molecular formula C12H11NaOPS+ and a molecular weight of 257.25 g/mol. Its IUPAC name is sodium;hydride;phenoxy-phenyl-sulfanylidenephosphanium.

Molecular Properties

Compound Namesodium;hydride;phenoxy-phenyl-sulfanylidenephosphanium
PubChem CID174295420
Molecular FormulaC12H11NaOPS+
Molecular Weight257.25 g/mol
Exact Mass257.02
IUPAC Namesodium;hydride;phenoxy-phenyl-sulfanylidenephosphanium
SMILESS=[P+](Oc1ccccc1)c1ccccc1.[H-].[Na+]
InChIInChI=1S/C12H10OPS.Na.H/c15-14(12-9-5-2-6-10-12)13-11-7-3-1-4-8-11;;/h1-10H;;/q2*+1;-1
InChIKeyXMLUCLKVIGFTGW-UHFFFAOYSA-N
XLogP0.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

magnesium;hydride;oxo-phenoxy-phenylphosphanium
CID 173003254
cobalt;oxo(diphenoxy)phosphanium
CID 162036820
copper;oxo(diphenoxy)phosphanium
CID 158842365
ethoxy-phenoxy-sulfanylidenephosphanium
CID 154097778
disodium;bis(oxido-oxo-phenoxyphosphanium);dihydrate
CID 71431251
diphenyl hydrogen phosphite;oxo(diphenoxy)phosphanium
CID 87382332
oxo-phenoxy-phosphanylphosphanium
CID 154139481
methylidene-oxido-phenoxyphosphanium
CID 175091171
methyl-phenyl-sulfanylidenephosphanium
CID 59983199
oxo-[3-[oxo(phenoxy)phosphaniumyl]oxyphenyl]peroxy-phenoxyphosphanium
CID 20686410
copper(1+);oxido-oxo-phenoxyphosphanium
CID 166721703
potassium;hydride;phenoxybenzene
CID 173391576

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;phenoxy-phenyl-sulfanylidenephosphanium?
The IUPAC name of sodium;hydride;phenoxy-phenyl-sulfanylidenephosphanium (CID 174295420) is sodium;hydride;phenoxy-phenyl-sulfanylidenephosphanium.
What is the SMILES notation for sodium;hydride;phenoxy-phenyl-sulfanylidenephosphanium?
The canonical SMILES for sodium;hydride;phenoxy-phenyl-sulfanylidenephosphanium is S=[P+](Oc1ccccc1)c1ccccc1.[H-].[Na+].
What is the InChIKey of sodium;hydride;phenoxy-phenyl-sulfanylidenephosphanium?
The InChIKey is XMLUCLKVIGFTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10OPS.Na.H/c15-14(12-9-5-2-6-10-12)13-11-7-3-1-4-8-11;;/h1-10H;;/q2*+1;-1.
What are the key properties of sodium;hydride;phenoxy-phenyl-sulfanylidenephosphanium?
sodium;hydride;phenoxy-phenyl-sulfanylidenephosphanium has a molecular weight of 257.25 g/mol, XLogP of 0.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;phenoxy-phenyl-sulfanylidenephosphanium is sourced from PubChem (CID 174295420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).